Cas no 1257397-57-1 (2-(3-Hydroxyphenyl)-4,4-dimethylpentanoic acid)
1257397-57-1 structure
Product Name:2-(3-Hydroxyphenyl)-4,4-dimethylpentanoic acid
CAS No:1257397-57-1
MF:C13H18O3
MW:222.280224323273
CID:2139592
Update Time:2023-08-04
2-(3-Hydroxyphenyl)-4,4-dimethylpentanoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(3-hydroxyphenyl)-4,4-dimethylpentanoic acid
- 2-(3-Hydroxyphenyl)-4,4-dimethylpentanoic acid
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- Inchi： 1S/C13H18O3/c1-13(2,3)8-11(12(15)16)9-5-4-6-10(14)7-9/h4-7,11,14H,8H2,1-3H3,(H,15,16)
- InChI Key： FLXDQQZSINJNBM-UHFFFAOYSA-N
- SMILES： OC(C(C1C=CC=C(C=1)O)CC(C)(C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 242
- Topological Polar Surface Area: 57.5
2-(3-Hydroxyphenyl)-4,4-dimethylpentanoic acid Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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